CID 120209

1-chloro-7-fluoroheptane

Structural Information

Molecular Formula
C7H14ClF
SMILES
C(CCCF)CCCCl
InChI
InChI=1S/C7H14ClF/c8-6-4-2-1-3-5-7-9/h1-7H2
InChIKey
BONTZXVQFVZSLD-UHFFFAOYSA-N
Compound name
1-chloro-7-fluoroheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

152.07681 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.08409 130.8
[M+Na]+ 175.06603 138.4
[M-H]- 151.06953 129.3
[M+NH4]+ 170.11063 153.0
[M+K]+ 191.03997 135.5
[M+H-H2O]+ 135.07407 126.3
[M+HCOO]- 197.07501 148.7
[M+CH3COO]- 211.09066 177.1
[M+Na-2H]- 173.05148 136.5
[M]+ 152.07626 133.0
[M]- 152.07736 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe